PubChemLite - Schembl232463 (C23H23N5O4)

Structural Information

Molecular Formula

SMILES

CN1C(=C(N=C1N=C2C(=O)N(C(=O)N2)C)CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)O

InChI

InChI=1S/C23H23N5O4/c1-27-19(13-15-4-8-16(29)9-5-15)18(12-14-6-10-17(32-3)11-7-14)24-22(27)25-20-21(30)28(2)23(31)26-20/h4-11,29H,12-13H2,1-3H3,(H,24,25,26,31)

InChIKey

REQFUGYVPAQCTH-UHFFFAOYSA-N

Compound name

5-[5-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	434.18230	204.6
[M+Na]+	456.16424	213.1
[M-H]-	432.16774	212.9
[M+NH4]+	451.20884	211.5
[M+K]+	472.13818	206.4
[M+H-H2O]+	416.17228	193.6
[M+HCOO]-	478.17322	222.5
[M+CH3COO]-	492.18887	230.3
[M+Na-2H]-	454.14969	199.7
[M]+	433.17447	206.5
[M]-	433.17557	206.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.18230

204.6

[M+Na]+

456.16424

213.1

[M-H]-

432.16774

212.9

[M+NH4]+

451.20884

211.5

[M+K]+

472.13818

206.4

[M+H-H2O]+

416.17228

193.6

[M+HCOO]-

478.17322

222.5

[M+CH3COO]-

492.18887

230.3

[M+Na-2H]-

454.14969

199.7

[M]+

433.17447

206.5

[M]-

433.17557

206.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Schembl232463

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe